1-(4-chlorophenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone bromide Openeye Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone bromide IUPAC Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]-1-(4-chlorophenyl)ethanone bromide Formula: C17H13BrClN2O2S- MolecularWeight: 424.71932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C17H13ClN2O2S.BrH/c18-14-8-6-13(7-9-14)15(21)11-23-17-20-19-16(22-17)10-12-4-2-1-3-5-12;/h1-9H,10-11H2;1H/p-1